SEQ2FUN

BioLiP

PDB CCD ID: 2NV
Number of entries in BioLiP: 8
Chemical formula: C13 H29 N O5
InChI: InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKey: LPPZTQZWMYYVLK-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(C)COCCOCCOCCOCCOCC
CACTVS 3.385CCOCCOCCOCCOCCOC[CH](C)N
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCOCCOCCOCCOCCOC[C@@H](C)N
OpenEye OEToolkits 1.7.6CCOCCOCCOCCOCCOCC(C)N
Name:3,6,9,12,15-pentaoxaoctadecan-17-amine;
Jeffamine ED-2001
ZINC: ZINC000098208218
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).